SCHEMBL28639774

SCHEMBL28639774

CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3nc(N4CCC(F)(F)C(CO)C4)cnc3C#N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.68
▸ LCK P06239 10/20 0.68
▸ BTK Q06187 7/20 0.68
▸ EGFR P00533 4/20 0.56
▸ JAK2 O60674 2/20 0.45
▸ PTK2 Q05397 2/20 0.45
▸ JAK1 P23458 3/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ NAMPT P43490 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31039879 1.00 JAK3 (0.68) JAK3LCKBTKEGFRJAK2
SCHEMBL21855193 1.00 JAK3 (0.68) JAK3LCKBTKEGFRJAK2
SCHEMBL28653131 0.88 JAK3 (0.63) JAK3LCKBTKEGFR
SCHEMBL21855199 0.88 JAK3 (0.63) JAK3LCKBTKEGFR
SCHEMBL31039883 0.88 JAK3 (0.63) JAK3LCKBTKEGFR
SCHEMBL30011291 0.87 JAK3 (0.76) JAK3LCKBTKEGFRJAK2
SCHEMBL28642039 0.87 JAK3 (0.76) JAK3LCKBTKEGFRJAK2
SCHEMBL28642037 0.87 JAK3 (0.76) JAK3LCKBTKEGFRJAK2
SCHEMBL21946816 0.87 JAK3 (0.69) JAK3LCKBTKEGFRJAK2
SCHEMBL21946362 0.86 JAK3 (0.78) JAK3LCKBTKEGFRJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 — — CN disclosed
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